2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate

C34H37N11O5 — CID 67600888

IUPAC2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate
SMILESNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCOC(=O)c3ccc(C(=O)N4CCN(c5ncccc5N)CC4)nc3)cn2)CC1
InChIInChI=1S/C34H37N11O5/c35-25-3-1-9-37-29(25)42-12-16-44(17-13-42)32(47)27-7-5-23(21-40-27)31(46)39-11-20-50-34(49)24-6-8-28(41-22-24)33(48)45-18-14-43(15-19-45)30-26(36)4-2-10-38-30/h1-10,21-22H,11-20,35-36H2,(H,39,46)
InChIKeyXTLVXCOATLLODD-UHFFFAOYSA-N
MW679.74 g/mol
LogP0.94
Rot. Bonds9

About 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate

2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 67600888) has the molecular formula C34H37N11O5 and a molecular weight of 679.74 g/mol. Its IUPAC name is 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate
PubChem CID67600888
Molecular FormulaC34H37N11O5
Molecular Weight679.74 g/mol
Exact Mass679.30
IUPAC Name2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate
SMILESNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCOC(=O)c3ccc(C(=O)N4CCN(c5ncccc5N)CC4)nc3)cn2)CC1
InChIInChI=1S/C34H37N11O5/c35-25-3-1-9-37-29(25)42-12-16-44(17-13-42)32(47)27-7-5-23(21-40-27)31(46)39-11-20-50-34(49)24-6-8-28(41-22-24)33(48)45-18-14-43(15-19-45)30-26(36)4-2-10-38-30/h1-10,21-22H,11-20,35-36H2,(H,39,46)
InChIKeyXTLVXCOATLLODD-UHFFFAOYSA-N
XLogP0.94
TPSA206.10 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.74
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate (CID 67600888) is 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate is Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCOC(=O)c3ccc(C(=O)N4CCN(c5ncccc5N)CC4)nc3)cn2)CC1.
What is the InChIKey of 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is XTLVXCOATLLODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N11O5/c35-25-3-1-9-37-29(25)42-12-16-44(17-13-42)32(47)27-7-5-23(21-40-27)31(46)39-11-20-50-34(49)24-6-8-28(41-22-24)33(48)45-18-14-43(15-19-45)30-26(36)4-2-10-38-30/h1-10,21-22H,11-20,35-36H2,(H,39,46).
What are the key properties of 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate?
2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 679.74 g/mol, XLogP of 0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 67600888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).